SCHEMBL633499

SCHEMBL633499

Fc1ccc(NCc2c[nH]cn2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH3A1 P30838 1/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PLA2G1B P04054 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HDAC4 P56524 1/20 0.34
MEF2D Q14814 1/20 0.34
NAMPT P43490 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL632273 0.87 MAPT (0.41) MAPTMEN1PABPC1KMT2AALDH1A1
SCHEMBL632337 0.87 MAPT (0.41) MAPTMEN1PABPC1KMT2AALDH1A1
SCHEMBL632276 0.87 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL632601 0.82 LMNA (0.44) MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL30034533 0.80 KMT2A (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL632249 0.79 CLK1 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL632032 0.79 MAPT (0.44) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL632321 0.78 NPC1 (0.43) MAPTALDH1A1POLBCYP1A2CYP3A4
SCHEMBL631355 0.78 MAPT (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL631864 0.77 KDM4E (0.47) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MAPT 36/4885MEN1 941/4885PABPC1 4603/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.